3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole

C16H13Cl2N7 — CID 170427291

IUPAC3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole
SMILESClc1ccc2c(-c3cn[nH]c3)c3n(c2c1Cl)CCC(c1nn[nH]n1)C3
InChIInChI=1S/C16H13Cl2N7/c17-11-2-1-10-13(9-6-19-20-7-9)12-5-8(16-21-23-24-22-16)3-4-25(12)15(10)14(11)18/h1-2,6-8H,3-5H2,(H,19,20)(H,21,22,23,24)
InChIKeyLHJJSSVOVOPHRK-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.58
Rot. Bonds2

About 3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole

3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole (PubChem CID 170427291) has the molecular formula C16H13Cl2N7 and a molecular weight of 374.24 g/mol. Its IUPAC name is 3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole.

Molecular Properties

Compound Name3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole
PubChem CID170427291
Molecular FormulaC16H13Cl2N7
Molecular Weight374.24 g/mol
Exact Mass373.06
IUPAC Name3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole
SMILESClc1ccc2c(-c3cn[nH]c3)c3n(c2c1Cl)CCC(c1nn[nH]n1)C3
InChIInChI=1S/C16H13Cl2N7/c17-11-2-1-10-13(9-6-19-20-7-9)12-5-8(16-21-23-24-22-16)3-4-25(12)15(10)14(11)18/h1-2,6-8H,3-5H2,(H,19,20)(H,21,22,23,24)
InChIKeyLHJJSSVOVOPHRK-UHFFFAOYSA-N
XLogP3.58
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US20230391786, Example 20
CID 170426488
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CID 170426549
US20230391786, Example 311
CID 170426708
US20230391786, Example 297
CID 170426718
US20230391786, Example 8
CID 170426767
US20230391786, Example 73
CID 170426848
6,7-Dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
CID 170426855
US20230391786, Example 155
CID 170426879
US20230391786, Example 22
CID 170426929
US20230391786, Example 26
CID 170426949
US20230391786, Example 10
CID 170426993
US20230391786, Example 266
CID 170427031

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The IUPAC name of 3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole (CID 170427291) is 3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole.
What is the SMILES notation for 3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The canonical SMILES for 3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole is Clc1ccc2c(-c3cn[nH]c3)c3n(c2c1Cl)CCC(c1nn[nH]n1)C3.
What is the InChIKey of 3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The InChIKey is LHJJSSVOVOPHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N7/c17-11-2-1-10-13(9-6-19-20-7-9)12-5-8(16-21-23-24-22-16)3-4-25(12)15(10)14(11)18/h1-2,6-8H,3-5H2,(H,19,20)(H,21,22,23,24).
What are the key properties of 3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole?
3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole has a molecular weight of 374.24 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-10-(1H-pyrazol-4-yl)-8-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indole is sourced from PubChem (CID 170427291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).